Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | AGXT | P21549 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL22926401 | 0.83 | AR (0.44) | CES2CES1ARSLC22A12ALDH1A1 | |
| SCHEMBL6223094 | 0.78 | CA3 (0.38) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL14703718 | 0.77 | L3MBTL1 (0.38) | ALDH1A1NFE2L2 | |
| SCHEMBL9487857 | 0.74 | CA3 (0.46) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL22926431 | 0.74 | AR (0.48) | ARALDH1A1IDO1 | |
| SCHEMBL3066192 | 0.74 | ALOX5AP (0.46) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL4402520 | 0.72 | ALDH1A1 (0.51) | ALDH1A1 | |
| SCHEMBL26420008 | 0.71 | SLC6A4 (0.43) | SLC22A12ALDH1A1 | |
| SCHEMBL197623 | 0.70 | MEN1 (0.46) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL29362946 | 0.70 | MEN1 (0.46) | CA3CA6CA5ACA9CA14 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105358130-B | A kind of isosulfocyanate compound preparation | 无锡杰西医药股份有限公司 | 2019-11-19 | — | — | CN | disclosed |